[email protected]
CAS 81-54-9 Purpurin molecular structure lightbox
CAS RN: 81-54-9

Purpurin

Product Availability

Choose a grade to view its available package options.

13 package records12 with current stock5 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 1g In stock Shanghai, Hebei Inquiry
Batchno.20251229 5g In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250531 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250515 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251117 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260103 100mg In stock Guangdong Inquiry
Batchno.20250419 1g Out of stock 5-7 business days Inquiry
Batchno.20250301 25mg In stock Shandong Inquiry
Batchno.20260611 500mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251011 20mg In stock Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250326 1g In stock Shanghai, Chongqing, Hebei Inquiry
Batchno.20260617 25g In stock Shanghai Inquiry
Batchno.20260629 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-189601
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 81-54-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

81-54-9 / 1,2,4-trihydroxyanthracene-9,10-dione

Standard CAS: 81-54-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
81-54-9
Multi CAS
Yes
Molecular Formula
C14H8O5
Molecular Weight
256.210000
Exact Mass
256.037173
InChI
InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChIKey
BBNQQADTFFCFGB-UHFFFAOYSA-N

Physical Properties

Physical Description
Orange or red solid; [Merck Index] Dark brown powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
H-bond acceptors
5
H-bond donors
3
Molar refractivity
64.74
TPSA
94.83

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
2.9
Consensus LogP
1.96
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us